Bryostatin 5
[(5Z,8E,13Z)-12-acetyloxy-1,11,21-trihydroxy-17-(1-hydroxyethyl)-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-25-yl] 3-methylbutanoate
Also Known As: Bryostatin 5|[(5Z,8E,13Z)-12-Acetyloxy-1,11,21-trihydroxy-17-(1-hydroxyethyl)-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-25-yl] 3-methylbutanoate|Bryostatin 1, 20-O-acetyl-7-O-deacetyl-20-O-de(1-oxo-2,4-octadienyl)-7-O-(3-methyl-1-oxobutyl)-|Butanoic acid, 3-methyl-, (1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-12-(acetyloxy)-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nona
| Molecular Formula | C44H66O17 |
|---|---|
| Molecular Weight | 866.43 g/mol |
| LogP | 3.4135 |
| Topological Polar Surface Area | 240.11 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 7 |
| Exact Mass | 866.43 |
| Monoisotopic Mass | 866.43 |
| Heavy Atoms | 61 |
| Complexity | 1695.173 |
Chemical Identifiers
| CAS Number | 97850-04-9 |
|---|---|
| SMILES | CC(C)CC(=O)OC1CC2CC(CC(=O)OC(CC3C/C(=C/C(=O)OC)/C(C(O3)(C(/C=C/C4C/C(=C\C(=O)OC)/CC(O4)CC(C1(C)C)(O2)O)(C)C)O)OC(=O)C)C(C)O)O |
Product Overview
Bryostatin 5 (CAS 97850-04-9), with molecular formula C44H66O17 and molecular weight 866.43 g/mol. IUPAC: [(5Z,8E,13Z)-12-acetyloxy-1,11,21-trihydroxy-17-(1-hydroxyethyl)-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-25-yl] 3-methylbutanoate.
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